REMARK  Name = BDB051546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.190   2.991  -0.084  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.567   1.935  -0.040  0.00  0.00    +0.258 A 
ATOM      3  C   LIG    1       -2.272   0.622   0.159  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.542  -0.583   0.207  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -2.204  -1.798   0.392  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -3.594  -1.815   0.528  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.321  -0.622   0.480  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.112  -0.510   0.061  0.00  0.00    +0.115 A 
ATOM      9  N   LIG    1        0.805  -1.521   0.072  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1        1.966  -0.915  -0.100  0.00  0.00    +0.141 A 
ATOM     11  N   LIG    1        1.820   0.473  -0.223  0.00  0.00    -0.285 N 
ATOM     12  C   LIG    1        2.893   1.343  -0.413  0.00  0.00    +0.096 A 
ATOM     13  C   LIG    1        4.138   0.839  -0.484  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        4.329  -0.600  -0.360  0.00  0.00    +0.046 A 
ATOM     15 CL   LIG    1        5.940  -1.206  -0.456  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        3.290  -1.437  -0.177  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1        0.474   0.718  -0.117  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1       -3.664   0.597   0.296  0.00  0.00    +0.014 A 
ATOM     19  N   LIG    1       -0.186   1.922  -0.172  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        0.284   2.807  -0.305  0.00  0.00    +0.170 HD
ENDROOT
TORSDOF 0